AG003NWI

98-44-2 | 2-Aminobenzene-1,4-disulfonic acid

AG003NWI

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CAS Number	98-44-2
Catalog Number	AG003NWI(AGN-PC-0JL47E)
Chemical Name	2-Aminobenzene-1,4-disulfonic acid
EC Number	202-669-6
IUPAC Name	2-aminobenzene-1,4-disulfonic acid
InChI	InChI=1S/C6H7NO6S2/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
InChI Key	LDCCBULMAFILCT-UHFFFAOYSA-N
MDL Number	MFCD00035753
Molecular Formula	C6H7NO6S2
Molecular Weight	253.2529
NSC Number	5580
SMILES	NC1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O
UNII	5E2OT6T2PS
Synonyms	98-44-2, 2-Aminobenzene-1,4-disulfonic acid, 2-Amino-1,4-benzenedisulfonic acid, Aniline-2,5-disulfonic acid, 2,5-Disulfoaniline, 4-Sulfometanilic acid, 1,4-BENZENEDISULFONIC ACID, 2-AMINO-, 2,5-Disulfo-1-aminobenzene, 2-Amino-1,4-disulfobenzene, 1-Anilino-2,5-disulfonic acid, 2-Amino-p-benzenedisulfonic acid, UNII-5E2OT6T2PS, p-Benzenedisulfonic acid, 2-amino-, 1-Amino-2,5-benzenedisulfonic acid, 2-Aminobenzene-1,4-disulphonic acid, Kyselina anilin-2,5-disulfonova, NSC 5580, EINECS 202-669-6, BRN 2660550, 5E2OT6T2PS, Kyselina anilin-2,5-disulfonova [Czech], AI3-23218, 1-Aminobenzene-2,5-disulfonic acid, ACMC-209sad, AC1L1UAR, WLN: WSQR BZ DSWQ, EC 202-669-6, DSSTox_CID_24751, DSSTox_RID_80444, DSSTox_GSID_44751, Aniline 2,5-disulfonic acid, 3-14-00-02260 (Beilstein Handbook Reference), aniline 2,5 disulphonic acid, SCHEMBL149375, 2,5-disulfoaniline AldrichCPR, 2,5-disulfoaniline, AldrichCPR, CHEMBL3184682, DTXSID8044751, CTK3I6652, NSC5580, LDCCBULMAFILCT-UHFFFAOYSA-N, NSC-5580, ZINC1687023, Tox21_301960, ANW-40931, KM3472, MFCD00035753, AKOS015854615, MCULE-8003621945, RTR-030323, CAS-98-44-2, TRA-0189553, NCGC00256123-01, AJ-29878, AK-96036, AS-12819, LS-30045, AX8114380, DB-057728, TR-030323, FT-0607352, ST24027760, ST50307837, 035D753, C-51891, 1, 2-amino-, C6H7NO6S2, 2-aminobenzen-1,4-disulfonsyre, 2-Amino-1,4-benzenedisulfonicacid, C6-H7-N-O6-S2, CID60988, 3-aminobenzene-1,2-disulfonic acid,

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.971g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	253.243g/mol
Monoisotopic Mass	252.971g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P302+P352-P321-P405-P501
UN Code

Certificate of Analysis

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